CID 2762217

347186-49-6

Structural Information

Molecular Formula
C17H24N2O4
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)19-11-9-18(10-12-19)14(15(20)21)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,20,21)
InChIKey
QPEHPIVVAWESTM-UHFFFAOYSA-N
Compound name
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

227
Patents

320.1736 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.180876 176.1
[M+Na]+ 343.162818 178.8
[M-H]- 319.166324 177.5
[M+NH4]+ 338.207423 186.2
[M+K]+ 359.136758 177.0
[M+H-H2O]+ 303.170860 167.5
[M+HCOO]- 365.171801 187.6
[M+CH3COO]- 379.187451 203.7
[M+Na-2H]- 341.148266 176.3
[M]+ 320.17305142 173.3
[M]- 320.17414858 173.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe